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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197443

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1197443
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Fe', 'As', 'Pb', 'O']
  • Chemical System: As-Fe-O-Pb
  • Density: 5.260267928796553
  • Atomic Density: 0.07557667438311982
  • Unit Cell Volume: 793.8957421683151
  • Molar Volume: 7.968253180170436
  • Full Formula: Fe8 As8 Pb4 O40
  • Reduced Formula: Fe2As2PbO10
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 66
  • Spacegroup Symbol: Cccm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -407.33991321
  • Final energy per atom: -6.7889985535
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.